⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL170596 | 0.71 | — | — | |
| SCHEMBL303281 | 0.70 | — | — | |
| SCHEMBL3345520 | 0.68 | — | — | |
| SCHEMBL5250874 | 0.68 | — | — | |
| SCHEMBL12274522 | 0.67 | — | — | |
| SCHEMBL14955465 | 0.67 | — | — | |
| SCHEMBL169332 | 0.65 | — | — | |
| SCHEMBL3351890 | 0.64 | — | — | |
| SCHEMBL13609 | 0.64 | — | — | |
| SCHEMBL982269 | 0.64 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1330444-B1 | NITROGENOUS HETEROCYCLIC COMPOUNDS AND PROCESS FOR MAKING THEM | MILLENNIUM PHARM INC (US) | 2011-03-23 | — | — | EP | disclosed |